Geometry & MOs

Info

ID:	46556
PubChem CID:	10525170
Reduced:	S2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	402.098249
ΔH_f, kcal/mol:	-58.19
Dipole, Da:	2.93
IP(EA), eV:	-9.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropoxycarbonyl 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1CC1(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations